[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-phenylmethanol

C17H22NO3P — CID 3569010

IUPAC[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-phenylmethanol
SMILESCCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccccc1
InChIInChI=1S/C17H22NO3P/c1-4-21-22(20,17(19)14-8-6-5-7-9-14)16-12-10-15(11-13-16)18(2)3/h5-13,17,19H,4H2,1-3H3
InChIKeyGUMQOTKFTONCKX-UHFFFAOYSA-N
MW319.34 g/mol
LogP3.38
Rot. Bonds6

About [[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-phenylmethanol

[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-phenylmethanol (PubChem CID 3569010) has the molecular formula C17H22NO3P and a molecular weight of 319.34 g/mol. Its IUPAC name is [[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-phenylmethanol.

Molecular Properties

Compound Name[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-phenylmethanol
PubChem CID3569010
Molecular FormulaC17H22NO3P
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-phenylmethanol
SMILESCCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccccc1
InChIInChI=1S/C17H22NO3P/c1-4-21-22(20,17(19)14-8-6-5-7-9-14)16-12-10-15(11-13-16)18(2)3/h5-13,17,19H,4H2,1-3H3
InChIKeyGUMQOTKFTONCKX-UHFFFAOYSA-N
XLogP3.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-phenylmethanol?
The IUPAC name of [[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-phenylmethanol (CID 3569010) is [[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-phenylmethanol.
What is the SMILES notation for [[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-phenylmethanol?
The canonical SMILES for [[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-phenylmethanol is CCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccccc1.
What is the InChIKey of [[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-phenylmethanol?
The InChIKey is GUMQOTKFTONCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22NO3P/c1-4-21-22(20,17(19)14-8-6-5-7-9-14)16-12-10-15(11-13-16)18(2)3/h5-13,17,19H,4H2,1-3H3.
What are the key properties of [[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-phenylmethanol?
[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-phenylmethanol has a molecular weight of 319.34 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-phenylmethanol is sourced from PubChem (CID 3569010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).